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Chemical Structure| 58810-86-9 Chemical Structure| 58810-86-9

Structure of 58810-86-9

Chemical Structure| 58810-86-9

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Product Details of [ 58810-86-9 ]

CAS No. :58810-86-9
Formula : C13H16O3
M.W : 220.26
SMILES Code : CC(C1=CC=C(CCCOC(C)=O)C=C1)=O

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Application In Synthesis of [ 58810-86-9 ]

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  • Downstream synthetic route of [ 58810-86-9 ]

[ 58810-86-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 75-36-5 ]
  • [ 122-72-5 ]
  • [ 58810-86-9 ]
YieldReaction ConditionsOperation in experiment
With aluminum (III) chloride; In dichloromethane; at 0℃; for 8h;Inert atmosphere; Acetyl chloride (2.64 g) was added into a mixture of aluminium chloride (3.74 g) and<strong>[122-72-5]3-phenylpropyl acetate</strong> (5 g) in dichloromethane (DCM) (50 mL) at 0 C dropwise under N2. Then more aluminium chloride (3.74 g) was added. The resultant mixture was stirred at 0 C for 8 hours. The reaction mixture was poured into cold 2 M HC1 slowly, and then diluted with water. The obtained mixture was extracted with DCM for 3 times. The combined organic layers were dried over anhydrous Na2SC>4. After filtration, the filtrate was concentrated under reduced pressure, and the residue was purified by chromatography on silica gel (EtOAc : PE = 0-15 %) to afford 3-(4- acetylphenyl)propyl acetate (5.7 g) as a yellow oil. LH-NMR (400 MHz, CDC13) delta ppm 1.95-2.05 (m, 2H), 2.06 (s, 3H), 2.59 (s, 3H), 2.76 (t, J= 8.0 Hz, 2H), 4.09 (t, J= 6.4 Hz, 2H), 7.28 (d, J= 8.4 Hz, 2H), 7.90 (d, J= 8.0 Hz, 2H); MS(ES+) m/z 221 (MH+).
 

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